SCHEMBL494334

SCHEMBL494334

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NC2CCC(C(c3ccccc3)N3CCN(C)CC3)CC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
CACNA2D1 P54289 4/20 0.37
CACNA1B Q00975 4/20 0.37
CACNB1 Q02641 4/20 0.37
CACNA1C Q13936 4/20 0.37
BDKRB1 P46663 2/20 0.36
LMNA P02545 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL492720 0.98 CACNA2D1 (0.36) RAB9ACACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493955 0.95 RAB9A (0.38) RAB9ABDKRB1LMNASLC6A2SLC6A4
SCHEMBL492997 0.94 RAB9A (0.37) RAB9ALMNASLC6A2SLC6A4SLC6A3
SCHEMBL493699 0.92 ATM (0.37) RAB9ASLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL493818 0.90 ATM (0.38) RAB9ALMNASLC6A2SLC6A4SLC6A3
SCHEMBL492788 0.88 CACNA2D1 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL493321 0.87 CACNA2D1 (0.41) RAB9ACACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493219 0.86 CACNA2D1 (0.45) CACNA2D1CACNA1BCACNB1CACNA1CBDKRB1
SCHEMBL493288 0.85 RAB9A (0.41) RAB9A
SCHEMBL493642 0.85 CACNA2D1 (0.41) RAB9ACACNA2D1CACNA1BCACNB1CACNA1C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD RAB9A 2004/4885CACNA2D1 638/4885CACNA1B 1416/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.